2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1-propyl-5-tetrazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-propyltetrazol-5-yl)methylthio]nicotinic acid Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H13N5O2S/c1-2-6-16-9(13-14-15-16)7-19-10-8(11(17)18)4-3-5-12-10/h3-5H,2,6-7H2,1H3,(H,17,18)